2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide

C19H19N3O2 — CID 100744235

IUPAC2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1cc(C)c2c(=O)ccn(CC(=O)NCc3ccncc3)c2c1
InChIInChI=1S/C19H19N3O2/c1-13-9-14(2)19-16(10-13)22(8-5-17(19)23)12-18(24)21-11-15-3-6-20-7-4-15/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyGMZPNXVMPGKCDQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.33
Rot. Bonds4

About 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide

2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 100744235) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID100744235
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1cc(C)c2c(=O)ccn(CC(=O)NCc3ccncc3)c2c1
InChIInChI=1S/C19H19N3O2/c1-13-9-14(2)19-16(10-13)22(8-5-17(19)23)12-18(24)21-11-15-3-6-20-7-4-15/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyGMZPNXVMPGKCDQ-UHFFFAOYSA-N
XLogP2.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
CID 100744049
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 100744381
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 100745016
N-cycloheptyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
CID 100744084
N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
CID 100744676
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 100745155
5,7-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-4-one
CID 100744816
2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 43833298
2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 100739658
N-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide
CID 100744798
1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one
CID 100745064
1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325398

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 100744235) is 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide is Cc1cc(C)c2c(=O)ccn(CC(=O)NCc3ccncc3)c2c1.
What is the InChIKey of 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is GMZPNXVMPGKCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-9-14(2)19-16(10-13)22(8-5-17(19)23)12-18(24)21-11-15-3-6-20-7-4-15/h3-10H,11-12H2,1-2H3,(H,21,24).
What are the key properties of 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 100744235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).